Geometry & MOs

Info

ID:	293100
PubChem CID:	117373919
Reduced:	O3C15H20 (1)
Stoich.:	A3B15C20 (1)
Weight, g/mol:	248.141244
ΔH_f, kcal/mol:	-139.96
Dipole, Da:	6.6
IP(EA), eV:	-8.74(0.18)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

3-(2,2-dimethyl-3,4-dihydrochromen-8-yl)-2-methylpropanoic acid

Drug info:

PubChemData

Smile

CC1CCC2=C(O1)C(=CC=C2)CC(C)(C)C(=O)O

DOS

IR

Vibrations